N-[(2S)-1-cyclohexyl-2,3,4-trimethyl-6-oxo-2H-pyrimidin-5-yl]-4-methyl-5-[(2R,4R)-4-propan-2-yloxolan-2-yl]-1,2-oxazole-3-carboxamide

C25H38N4O4 — CID 126481621

IUPACN-[(2S)-1-cyclohexyl-2,3,4-trimethyl-6-oxo-2H-pyrimidin-5-yl]-4-methyl-5-[(2R,4R)-4-propan-2-yloxolan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCC1=C(NC(=O)c2noc([C@H]3C[C@H](C(C)C)CO3)c2C)C(=O)N(C2CCCCC2)[C@@H](C)N1C
InChIInChI=1S/C25H38N4O4/c1-14(2)18-12-20(32-13-18)23-15(3)21(27-33-23)24(30)26-22-16(4)28(6)17(5)29(25(22)31)19-10-8-7-9-11-19/h14,17-20H,7-13H2,1-6H3,(H,26,30)/t17-,18-,20+/m0/s1
InChIKeyDOWPVHZKSOXUPC-CMKODMSKSA-N
MW458.60 g/mol
LogP4.13
Rot. Bonds5

About N-[(2S)-1-cyclohexyl-2,3,4-trimethyl-6-oxo-2H-pyrimidin-5-yl]-4-methyl-5-[(2R,4R)-4-propan-2-yloxolan-2-yl]-1,2-oxazole-3-carboxamide

N-[(2S)-1-cyclohexyl-2,3,4-trimethyl-6-oxo-2H-pyrimidin-5-yl]-4-methyl-5-[(2R,4R)-4-propan-2-yloxolan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 126481621) has the molecular formula C25H38N4O4 and a molecular weight of 458.60 g/mol. Its IUPAC name is N-[(2S)-1-cyclohexyl-2,3,4-trimethyl-6-oxo-2H-pyrimidin-5-yl]-4-methyl-5-[(2R,4R)-4-propan-2-yloxolan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-cyclohexyl-2,3,4-trimethyl-6-oxo-2H-pyrimidin-5-yl]-4-methyl-5-[(2R,4R)-4-propan-2-yloxolan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID126481621
Molecular FormulaC25H38N4O4
Molecular Weight458.60 g/mol
Exact Mass458.29
IUPAC NameN-[(2S)-1-cyclohexyl-2,3,4-trimethyl-6-oxo-2H-pyrimidin-5-yl]-4-methyl-5-[(2R,4R)-4-propan-2-yloxolan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCC1=C(NC(=O)c2noc([C@H]3C[C@H](C(C)C)CO3)c2C)C(=O)N(C2CCCCC2)[C@@H](C)N1C
InChIInChI=1S/C25H38N4O4/c1-14(2)18-12-20(32-13-18)23-15(3)21(27-33-23)24(30)26-22-16(4)28(6)17(5)29(25(22)31)19-10-8-7-9-11-19/h14,17-20H,7-13H2,1-6H3,(H,26,30)/t17-,18-,20+/m0/s1
InChIKeyDOWPVHZKSOXUPC-CMKODMSKSA-N
XLogP4.13
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-cyclohexyl-2,3,4-trimethyl-6-oxo-2H-pyrimidin-5-yl]-4-methyl-5-[(2R,4R)-4-propan-2-yloxolan-2-yl]-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-cyclohexyl-2,3,4-trimethyl-6-oxo-2H-pyrimidin-5-yl]-4-methyl-5-[(2R,4R)-4-propan-2-yloxolan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-cyclohexyl-2,3,4-trimethyl-6-oxo-2H-pyrimidin-5-yl]-4-methyl-5-[(2R,4R)-4-propan-2-yloxolan-2-yl]-1,2-oxazole-3-carboxamide (CID 126481621) is N-[(2S)-1-cyclohexyl-2,3,4-trimethyl-6-oxo-2H-pyrimidin-5-yl]-4-methyl-5-[(2R,4R)-4-propan-2-yloxolan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-cyclohexyl-2,3,4-trimethyl-6-oxo-2H-pyrimidin-5-yl]-4-methyl-5-[(2R,4R)-4-propan-2-yloxolan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-cyclohexyl-2,3,4-trimethyl-6-oxo-2H-pyrimidin-5-yl]-4-methyl-5-[(2R,4R)-4-propan-2-yloxolan-2-yl]-1,2-oxazole-3-carboxamide is CC1=C(NC(=O)c2noc([C@H]3C[C@H](C(C)C)CO3)c2C)C(=O)N(C2CCCCC2)[C@@H](C)N1C.
What is the InChIKey of N-[(2S)-1-cyclohexyl-2,3,4-trimethyl-6-oxo-2H-pyrimidin-5-yl]-4-methyl-5-[(2R,4R)-4-propan-2-yloxolan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is DOWPVHZKSOXUPC-CMKODMSKSA-N. The full InChI is InChI=1S/C25H38N4O4/c1-14(2)18-12-20(32-13-18)23-15(3)21(27-33-23)24(30)26-22-16(4)28(6)17(5)29(25(22)31)19-10-8-7-9-11-19/h14,17-20H,7-13H2,1-6H3,(H,26,30)/t17-,18-,20+/m0/s1.
What are the key properties of N-[(2S)-1-cyclohexyl-2,3,4-trimethyl-6-oxo-2H-pyrimidin-5-yl]-4-methyl-5-[(2R,4R)-4-propan-2-yloxolan-2-yl]-1,2-oxazole-3-carboxamide?
N-[(2S)-1-cyclohexyl-2,3,4-trimethyl-6-oxo-2H-pyrimidin-5-yl]-4-methyl-5-[(2R,4R)-4-propan-2-yloxolan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 458.60 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-cyclohexyl-2,3,4-trimethyl-6-oxo-2H-pyrimidin-5-yl]-4-methyl-5-[(2R,4R)-4-propan-2-yloxolan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 126481621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).